Crystallography Open Database

Information card for entry 1565188

Preview

Coordinates	1565188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H72 F12 Fe2 N20 O12.5 P2
Calculated formula	C61 H72 F12 Fe2 N20 O12.5 P2
Title of publication	Dye-Sensitized Solar Cells based on Fe N-heterocyclic Carbene Photosensitizers with Improved Rod-like Push-Pull Functionality
Authors of publication	Lindh, Linnea; Gordivska, Olga; Persson, Samuel; Michaels, Hannes; Fan, Hao; Chabera, Pavel; Rosemann, Nils W.; Gupta, Arvind Kumar; Benesperi, Iacopo; Uhlig, Jens; Prakash, Om; Sheibani, Esmaeil; Kjær, Kasper Skov; Boschloo, Gerrit; Yartsev, Arkady; Freitag, Marina; Lomoth, Reiner; Persson, Petter; Wärnmark, Kenneth
Journal of publication	Chemical Science
Year of publication	2021
a	15.2815 ± 0.001 Å
b	16.2362 ± 0.0012 Å
c	15.2815 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3791.5 ± 0.4 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	7
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1759
Weighted residual factors for all reflections included in the refinement	0.195
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270602 (current)	2021-11-12	cif/ Adding structures of 1565188, 1565189, 1565190, 1565191, 1565192, 1565193 via cif-deposit CGI script.	1565188.cif